N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide

C14H20ClNO — CID 143072350

IUPACN-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)C(=O)N(Cc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H20ClNO/c1-10(2)14(17)16(11(3)4)9-12-5-7-13(15)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeyQAALUSHBAUIKPZ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.73
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide

N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide (PubChem CID 143072350) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide
PubChem CID143072350
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)C(=O)N(Cc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H20ClNO/c1-10(2)14(17)16(11(3)4)9-12-5-7-13(15)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeyQAALUSHBAUIKPZ-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-methyl-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 133214590
N-[(4-chlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237646
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100680950
(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide
CID 100565411
2-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 107904496
3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide
CID 112501851
N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237652
(2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide
CID 66568264
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
2-bromo-N-[(3,4-dichlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 63463541
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 113054821
2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 132650421

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide (CID 143072350) is N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide is CC(C)C(=O)N(Cc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is QAALUSHBAUIKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(2)14(17)16(11(3)4)9-12-5-7-13(15)8-6-12/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide?
N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 253.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 143072350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).